6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide

C12H20N4O2S — CID 62156782

IUPAC6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCCC(CNS(=O)(=O)c2ccc(N)nc2)C1
InChIInChI=1S/C12H20N4O2S/c1-16-6-2-3-10(9-16)7-15-19(17,18)11-4-5-12(13)14-8-11/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H2,13,14)
InChIKeyGZQQUJSZPNJNML-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.28
Rot. Bonds4

About 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide

6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62156782) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID62156782
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCCC(CNS(=O)(=O)c2ccc(N)nc2)C1
InChIInChI=1S/C12H20N4O2S/c1-16-6-2-3-10(9-16)7-15-19(17,18)11-4-5-12(13)14-8-11/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H2,13,14)
InChIKeyGZQQUJSZPNJNML-UHFFFAOYSA-N
XLogP0.28
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
6-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411147
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
3-amino-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927593
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 106267926
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide (CID 62156782) is 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide is CN1CCCC(CNS(=O)(=O)c2ccc(N)nc2)C1.
What is the InChIKey of 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is GZQQUJSZPNJNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-16-6-2-3-10(9-16)7-15-19(17,18)11-4-5-12(13)14-8-11/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H2,13,14).
What are the key properties of 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62156782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).